CID 9891901

Ngb 2904

Structural Information

Molecular Formula
C28H29Cl2N3O
SMILES
C1CN(CCN1CCCCNC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3)C5=C(C(=CC=C5)Cl)Cl
InChI
InChI=1S/C28H29Cl2N3O/c29-25-8-5-9-26(27(25)30)33-16-14-32(15-17-33)13-4-3-12-31-28(34)21-10-11-24-22(19-21)18-20-6-1-2-7-23(20)24/h1-2,5-11,19H,3-4,12-18H2,(H,31,34)
InChIKey
YJPWVCIGSHWNON-UHFFFAOYSA-N
Compound name
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-9H-fluorene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

6
Patents

493.16876 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.17604 221.3
[M+Na]+ 516.15798 226.9
[M-H]- 492.16148 227.4
[M+NH4]+ 511.20258 229.9
[M+K]+ 532.13192 217.0
[M+H-H2O]+ 476.16602 209.6
[M+HCOO]- 538.16696 225.7
[M+CH3COO]- 552.18261 226.9
[M+Na-2H]- 514.14343 218.4
[M]+ 493.16821 222.4
[M]- 493.16931 222.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe